SCHEMBL6790810

SCHEMBL6790810

COC(=O)c1c2c(nn1CCCNC(=O)OC(C)(C)C)-c1cc([N+](=O)[O-])c(OC)cc1CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.38
BRD4 O60885 9/20 0.36
DYRK1A Q13627 1/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
STING1 Q86WV6 1/20 0.33
PDPK1 O15530 1/20 0.33
CCNB2 O95067 1/20 0.33
PRKCB P05771 1/20 0.33
CDK1 P06493 1/20 0.33
LYN P07948 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
GSK3B P49841 1/20 0.33
RPS6KA3 P51812 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6793376 0.88 BRD4 (0.39) DRD2BRD4DYRK1A
SCHEMBL6794553 0.88 DRD2 (0.41) DRD2BRD4DYRK1ASTING1PDPK1
SCHEMBL6787224 0.87 DRD2 (0.40) DRD2BRD4DYRK1ASTING1PDPK1
SCHEMBL6786904 0.86 BRD4 (0.38) DRD2BRD4
SCHEMBL6792664 0.86 DRD2 (0.38) DRD2BRD4DYRK1ASTING1PDPK1
SCHEMBL6790801 0.84 DRD2 (0.39) DRD2BRD4DYRK1APDPK1CCNB2
SCHEMBL6794238 0.83 DRD2 (0.41) DRD2BRD4DYRK1A
SCHEMBL6799925 0.83 DRD2 (0.37) DRD2BRD4DYRK1ASTING1PDPK1
SCHEMBL6791850 0.83 SUV39H2 (0.41) DRD2BRD4
SCHEMBL6787885 0.82 DRD2 (0.37) DRD2BRD4DYRK1ASTING1PDPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 US claimed
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 DRD2 4396/4885BRD4 833/4885DYRK1A 754/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.